1-({(2S)-1-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S)-1-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
1-({(2S)-1-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB36-1328 |
| Compound Name: | 1-({(2S)-1-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-4,4-difluoropyrrolidin-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H23 F2 N7 O2 |
| Smiles: | CCc1ccc(cc1)c1cc(C(N2CC(C[C@H]2Cn2cc(C(NC)=O)nn2)(F)F)=O)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6149 |
| logD: | 2.6139 |
| logSw: | -2.7933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.671 |
| InChI Key: | CYALZNVJQBJVFX-OAHLLOKOSA-N |